Material ID stringlengths 4 10 | Reduced_Formula stringlengths 1 18 | CIF stringlengths 761 5.02k |
|---|---|---|
mp-1211238 | La2SbI2 | data_[La2Sb1I2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sb 2.0500 1.4500 0.8300
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5989]
_cell_length_b [4.5989]
_cell_length_c [11.1951]
_ce... |
mp-27240 | UCl5 | data_[U2Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
U 1.3800 1.7500 0.9913
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a [6.9134]
_cell_length_b [7.5458]
_cell_length_c [10.2672]
_cell_angle_alpha [108.5498]
_cell_a... |
mp-1224158 | Ho2Ga3Fe | data_[Ho4Ga6Fe2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ho 1.2300 1.7500 1.0410
Ga 1.8100 1.3000 0.7600
Fe 1.8300 1.4000 0.8525
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [10.3318]
_cell_length_b [4.3104]
_cell_length_c [7.1113]
_cel... |
mp-21348 | Ba2EuTaO6 | data_[Ba4Eu2Ta2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Eu 1.2000 1.8500 1.1985
Ta 1.5000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [6.0878]
_cell_length_b [6.08... |
mp-756478 | WO3 | data_[W8O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Im-3]
_cell_length_a [7.6160]
_cell_length_b [7.6160]
_cell_length_c [7.6160]
_cell_angle_alpha [90.0000]
_cell_angl... |
mp-1188331 | GdB2Os | data_[Gd4B8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
B 2.0400 0.8500 0.4100
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.9216]
_cell_length_b [5.3381]
_cell_length_c [6.4085]
_cell... |
mp-1183551 | CaYPd2 | data_[Ca4Y4Pd8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Y 1.2200 1.8000 1.0400
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0411]
_cell_length_b [7.0411]
_cell_length_c [7.0411]
_cel... |
mp-1223790 | K3BrCl2 | data_[K3Br1Cl2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Br 2.9600 1.1500 0.8825
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.5877]
_cell_length_b [4.5877]
_cell_length_c [11.2519]
_ce... |
mp-1184451 | EuPbAu2 | data_[Eu4Pb4Au8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Pb 2.3300 1.8000 1.1225
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.2894]
_cell_length_b [7.2894]
_cell_length_c [7.2894]
_c... |
mp-979899 | Sm3Ho | data_[Sm6Ho2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Ho 1.2300 1.7500 1.0410
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [7.2913]
_cell_length_b [7.2913]
_cell_length_c [5.7883]
_cell_angle_alpha [90.0000]
_ce... |
mp-1217523 | TbIn7Cu5 | data_[Tb2In14Cu10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tb 1.1000 1.7500 0.9815
In 1.7800 1.5500 0.9400
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [Imm2]
_cell_length_a [5.6407]
_cell_length_b [9.4643]
_cell_length_c [9.4754]
_... |
mp-9581 | Th(CuP)2 | data_[Th1Cu2P2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Th 1.3000 1.8000 1.0800
Cu 1.9000 1.3500 0.8200
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [4.0177]
_cell_length_b [4.0177]
_cell_length_c [6.4861]
_cel... |
mp-977428 | YbAl2Cu | data_[Yb9Al18Cu9]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Al 1.6100 1.2500 0.6750
Cu 1.9000 1.3500 0.8200
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [5.4569]
_cell_length_b [5.4569]
_cell_length_c [25.6972]
_... |
mp-35475 | MnV2O4 | data_[Mn8V16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.7016]
_cell_length_b [8.7016]
_cell_length_c [8.7016]
_cel... |
mp-1205958 | Sr2CrReO6 | data_[Sr8Cr4Re4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Cr 1.6600 1.4000 0.9400
Re 1.9000 1.3500 0.7125
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.9302]
_cell_length_b [7.9... |
mp-20402 | Lu6UO12 | data_[Lu18U3O36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Lu 1.2700 1.7500 1.0010
U 1.3800 1.7500 0.9913
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [9.8062]
_cell_length_b [9.8062]
_cell_length_c [9.1980]
_cell_... |
mp-1018936 | PrSbTe | data_[Pr2Sb2Te2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Sb 2.0500 1.4500 0.8300
Te 2.1000 1.4000 1.2933
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [4.3755]
_cell_length_b [4.3755]
_cell_length_c [9.6573]
_... |
mp-16421 | Zr2CuSb3 | data_[Zr2Cu1Sb3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Sb 2.0500 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-4m2]
_cell_length_a [3.9344]
_cell_length_b [3.9344]
_cell_length_c [8.6676]
_c... |
mp-505391 | Li6CoCl8 | data_[Li24Co4Cl32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Co 1.8800 1.3500 0.7683
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.2964]
_cell_length_b [10.2964]
_cell_length_c [10.296... |
mp-1186395 | PaHgO3 | data_[Pa1Hg1O3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
Hg 2.0000 1.5000 1.2450
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.3754]
_cell_length_b [4.3754]
_cell_length_c [4.3754]
_cel... |
mp-974724 | ReClO3 | data_[Re4Cl4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Re 1.9000 1.3500 0.7125
Cl 3.1600 1.0000 0.7800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8907]
_cell_length_b [9.3450]
_cell_length_c [9.4457]
_c... |
mp-754108 | Li2MnCo3O8 | data_[Li4Mn2Co6O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
Co 1.8800 1.3500 0.7683
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [9.8389]
_cell_length_b [5.79... |
mp-755299 | LiFeF4 | data_[Li4Fe4F16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [5.9766]
_cell_length_b [8.2726]
_cell_length_c [6.3138]
_cel... |
mp-1205883 | Rb2LiHoCl6 | data_[Rb8Li4Ho4Cl24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
Ho 1.2300 1.7500 1.0410
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [10.4237]
_cell_length_b [... |
mp-1105362 | MnTeMoO6 | data_[Mn2Te2Mo2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mn 1.5500 1.4000 0.8775
Te 2.1000 1.4000 1.2933
Mo 2.1600 1.4500 0.7750
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [5.3036]
_cell_length_b [5... |
mp-1176636 | LiMnF3 | data_[Li8Mn8F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Mn 1.5500 1.4000 0.8775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [7.5680]
_cell_length_b [10.3503]
_cell_length_c [6.4798]
_ce... |
mp-1222990 | La4Mg | data_[La8Mg2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Mg 1.3100 1.5000 0.8600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.8121]
_cell_length_b [3.8121]
_cell_length_c [23.8353]
_cell_angle_alpha [90.0000]
_cel... |
mp-1222835 | LaGe2IrRu | data_[La2Ge4Ir2Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Ge 2.0100 1.2500 0.7700
Ir 2.2000 1.3500 0.7650
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [4.2836]
_cell_length_b [4.... |
mp-17757 | Sr5Ge3 | data_[Sr20Ge12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [8.1747]
_cell_length_b [8.1747]
_cell_length_c [15.9624]
_cell_angle_alpha [90.0000]
_c... |
mp-1181747 | CrO2 | data_[Cr4O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [9.2794]
_cell_length_b [3.0094]
_cell_length_c [4.7644]
_cell_angle_alpha [90.0000]
_cell_ang... |
mp-1005693 | Sm2InHg | data_[Sm8In4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
In 1.7800 1.5500 0.9400
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.6584]
_cell_length_b [7.6584]
_cell_length_c [7.6584]
_c... |
mp-1105997 | Ca2Ni7 | data_[Ca12Ni42]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.9885]
_cell_length_b [4.9885]
_cell_length_c [35.8526]
_cell_angle_alpha [90.0000]
_cel... |
mp-1209554 | PrAlRh | data_[Pr4Al4Rh4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pr 1.1300 1.8500 1.0600
Al 1.6100 1.2500 0.6750
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [7.1254]
_cell_length_b [4.3083]
_cell_length_c [8.1331]
_ce... |
mp-1218202 | SrLaCuO4 | data_[Sr2La2Cu2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
Cu 1.9000 1.3500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4mm]
_cell_length_a [3.8698]
_cell_length_b [3.869... |
mp-5019 | YCo3B2 | data_[Y1Co3B2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Co 1.8800 1.3500 0.7683
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [P6/mmm]
_cell_length_a [5.0217]
_cell_length_b [5.0217]
_cell_length_c [3.0059]
_cell... |
mp-862878 | PmAg3 | data_[Pm4Ag12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pm 1.1300 1.8500 1.1100
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0635]
_cell_length_b [7.0635]
_cell_length_c [7.0635]
_cell_angle_alpha [90.0000]
_cell... |
mp-1079352 | SrRuO3 | data_[Sr4Ru4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
Ru 2.2000 1.3000 0.6610
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [3.2634]
_cell_length_b [10.2129]
_cell_length_c [7.4739]
_ce... |
mp-849695 | Li2FeO3 | data_[Li8Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [12.4456]
_cell_length_b [2.8954]
_cell_length_c [5.8659]
_ce... |
mp-31284 | NaSn5 | data_[Na2Sn10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Sn 1.9600 1.4500 0.8300
]
_symmetry_space_group_name_H-M [P-42_1m]
_cell_length_a [6.4130]
_cell_length_b [6.4130]
_cell_length_c [8.9879]
_cell_angle_alpha [90.0000]
_ce... |
mp-20350 | DyCoC | data_[Dy2Co2C2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Co 1.8800 1.3500 0.7683
C 2.5500 0.7000 0.3000
]
_symmetry_space_group_name_H-M [P4_2/mmc]
_cell_length_a [3.6235]
_cell_length_b [3.6235]
_cell_length_c [6.9150]
_... |
mp-754895 | LiVF4 | data_[Li2V2F8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.6202]
_cell_length_b [4.7591]
_cell_length_c [5.6998]
_cell... |
mp-866150 | LiSm2Os | data_[Li4Sm8Os4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
Sm 1.1700 1.8500 1.2290
Os 2.2000 1.3000 0.6730
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.0675]
_cell_length_b [7.0675]
_cell_length_c [7.0675]
_c... |
mp-697139 | PHN2 | data_[P4H4N8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
P 2.1900 1.0000 0.5500
H 2.2000 0.2500 0.0000
N 3.0400 0.6500 0.6300
]
_symmetry_space_group_name_H-M [P2_12_12_1]
_cell_length_a [4.6723]
_cell_length_b [4.7137]
_cell_length_c [7.1084]
_ce... |
mp-1207593 | Yb(Co2Ge)2 | data_[Yb2Co8Ge4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Co 1.8800 1.3500 0.7683
Ge 2.0100 1.2500 0.7700
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.2517]
_cell_length_b [7.2517]
_cell_length_c [3.7297]... |
mp-5794 | Zn(GaO2)2 | data_[Zn8Ga16O32]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Ga 1.8100 1.3000 0.7600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fd-3m]
_cell_length_a [8.4590]
_cell_length_b [8.4590]
_cell_length_c [8.4590]
_c... |
mp-1112946 | Cs2KPrF6 | data_[Cs8K4Pr4F24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
K 0.8200 2.2000 1.5200
Pr 1.1300 1.8500 1.0600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [9.8213]
_cell_length_b [9.821... |
mp-1025490 | TmU2S3O2 | data_[Tm2U4S6O4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tm 1.2500 1.7500 1.0950
U 1.3800 1.7500 0.9913
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [3.7912]
_cell_length_b [3.7912]... |
mp-998297 | CsSrBr3 | data_[Cs2Sr2Br6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Sr 0.9500 2.0000 1.3200
Br 2.9600 1.1500 0.8825
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.5463]
_cell_length_b [8.5414]
_cell_length_c [6.0340]
_cell... |
mp-1076928 | CsEuS2 | data_[Cs3Eu3S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Eu 1.2000 1.8500 1.1985
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [R-3m]
_cell_length_a [4.2612]
_cell_length_b [4.2612]
_cell_length_c [24.0895]
_cel... |
mp-756368 | Te(WO4)3 | data_[Te1W3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Te 2.1000 1.4000 1.2933
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.2528]
_cell_length_b [5.3840]
_cell_length_c [7.5196]
_cell_an... |
mp-1517703 | BaSrLaWO6 | data_[Ba2Sr2La2W2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Sr 0.9500 2.0000 1.3200
La 1.1000 1.9500 1.1720
W 2.3600 1.3500 0.7667
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P-1]
_cell_length_a ... |
mp-1105062 | Er(Ni2P)2 | data_[Er2Ni8P4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Ni 1.9100 1.3500 0.7400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [P4_2/mnm]
_cell_length_a [7.0568]
_cell_length_b [7.0568]
_cell_length_c [3.6010]
_... |
mp-1105610 | KOsNOF5 | data_[K2Os2N2O2F10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Os 2.2000 1.3000 0.6730
N 3.0400 0.6500 0.6300
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [... |
mp-23118 | CsEr6CI12 | data_[Cs3Er18C3I36]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Er 1.2400 1.7500 1.0300
C 2.5500 0.7000 0.3000
I 2.6600 1.4000 1.2733
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [11.3075]
_cell_length_b [11.30... |
mp-971891 | Zn2PdAu | data_[Zn8Pd4Au4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zn 1.6500 1.3500 0.8800
Pd 2.2000 1.4000 0.8462
Au 2.5400 1.3500 1.0700
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.2643]
_cell_length_b [6.2643]
_cell_length_c [6.2643]
_c... |
mp-10740 | Pa | data_[Pa4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pa 1.5000 1.8000 1.0400
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [4.6545]
_cell_length_b [4.6545]
_cell_length_c [4.6545]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-1188621 | Eu3NbO6 | data_[Eu6Nb2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P2_1/c]
_cell_length_a [5.8079]
_cell_length_b [6.0530]
_cell_length_c [10.1789]
_... |
mp-10255 | Nb3B4 | data_[Nb6B8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nb 1.6000 1.4500 0.8200
B 2.0400 0.8500 0.4100
]
_symmetry_space_group_name_H-M [Immm]
_cell_length_a [3.1573]
_cell_length_b [3.3242]
_cell_length_c [14.1685]
_cell_angle_alpha [90.0000]
_cell_an... |
mp-1188263 | Eu3(InP2)2 | data_[Eu6In4P8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Eu 1.2000 1.8500 1.1985
In 1.7800 1.5500 0.9400
P 2.1900 1.0000 0.5500
]
_symmetry_space_group_name_H-M [Pnnm]
_cell_length_a [6.6121]
_cell_length_b [16.0411]
_cell_length_c [4.3014]
_cel... |
mp-862263 | DyAlAg2 | data_[Dy4Al4Ag8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Dy 1.2200 1.7500 1.1310
Al 1.6100 1.2500 0.6750
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [6.8461]
_cell_length_b [6.8461]
_cell_length_c [6.8461]
_c... |
mp-545603 | Ba2BiSbO6 | data_[Ba8Bi4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Bi 2.0200 1.6000 1.0350
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.6727]
_cell_length_b [8.6... |
mp-1105287 | Ti4Pb2O9F2 | data_[Ti8Pb4O18F4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Pb 2.3300 1.8000 1.1225
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [15.0237]
_cell_length_b [3.843... |
mp-6632 | Ca5B3O9F | data_[Ca10B6O18F2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
B 2.0400 0.8500 0.4100
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [8.1981]
_cell_length_b [16.2326]
... |
mp-1216559 | TlCoNiSe2 | data_[Tl2Co2Ni2Se4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Co 1.8800 1.3500 0.7683
Ni 1.9100 1.3500 0.7400
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [I-4m2]
_cell_length_a [3.8187]
_cell_length_b [3.... |
mp-1078185 | Ba2LuSbO6 | data_[Ba8Lu4Sb4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ba 0.8900 2.1500 1.4900
Lu 1.2700 1.7500 1.0010
Sb 2.0500 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [8.4270]
_cell_length_b [8.4... |
mp-1212825 | Er3ScS6 | data_[Er6Sc2S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Sc 1.3600 1.6000 0.8850
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [10.8805]
_cell_length_b [3.8739]
_cell_length_c [11.1467]
... |
mp-505814 | CsBa2Nb3O10 | data_[Cs1Ba2Nb3O10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Ba 0.8900 2.1500 1.4900
Nb 1.6000 1.4500 0.8200
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/mmm]
_cell_length_a [4.0291]
_cell_length_b [4.... |
mp-763935 | V6O7F5 | data_[V6O7F5]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
O 3.4400 0.6000 1.2600
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [4.6454]
_cell_length_b [5.6290]
_cell_length_c [7.8112]
_cell_angle... |
mp-1188689 | Nd(YS2)3 | data_[Nd2Y6S12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Nd 1.1400 1.8500 1.2765
Y 1.2200 1.8000 1.0400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a [11.1265]
_cell_length_b [3.9996]
_cell_length_c [11.3461]
_c... |
mp-1223376 | KNa4Cl5 | data_[K2Na8Cl10]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Na 0.9300 1.8000 1.1600
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.1669]
_cell_length_b [4.1669]
_cell_length_c [29.0264]
_... |
mp-1296944 | Ta2CrO6 | data_[Ta8Cr4O24]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ta 1.5000 1.4500 0.8200
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [C2/m]
_cell_length_a [6.8472]
_cell_length_b [6.8334]
_cell_length_c [9.2372]
_cel... |
mp-556372 | CaSO4 | data_[Ca3S3O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ca 1.0000 1.8000 1.1400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P6_422]
_cell_length_a [7.0508]
_cell_length_b [7.0508]
_cell_length_c [6.3581]
_cel... |
mp-1280737 | LiV2CrO6 | data_[Li2V4Cr2O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Cr 1.6600 1.4000 0.9400
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P1]
_cell_length_a [5.0308]
_cell_length_b [5.0314]
... |
mp-979961 | Yb2AgHg | data_[Yb8Ag4Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Yb 1.1000 1.7500 1.0840
Ag 1.9300 1.6000 1.0867
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [Fm-3m]
_cell_length_a [7.4028]
_cell_length_b [7.4028]
_cell_length_c [7.4028]
_c... |
mp-1228043 | AlSiNi2 | data_[Al2Si2Ni4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Al 1.6100 1.2500 0.6750
Si 1.9000 1.1000 0.5400
Ni 1.9100 1.3500 0.7400
]
_symmetry_space_group_name_H-M [P2_1]
_cell_length_a [4.5301]
_cell_length_b [4.5797]
_cell_length_c [4.5568]
_ce... |
mp-1223248 | La2Sn4Ru | data_[La4Sn8Ru2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
La 1.1000 1.9500 1.1720
Sn 1.9600 1.4500 0.8300
Ru 2.2000 1.3000 0.6610
]
_symmetry_space_group_name_H-M [Amm2]
_cell_length_a [4.6905]
_cell_length_b [4.7595]
_cell_length_c [17.1435]
_c... |
mp-1215215 | ZrSeS | data_[Zr1Se1S1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.7490]
_cell_length_b [3.7490]
_cell_length_c [6.2829]
_cell... |
mp-1103596 | Ce(Ge2Rh3)2 | data_[Ce1Ge4Rh6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ge 2.0100 1.2500 0.7700
Rh 2.2800 1.3500 0.7450
]
_symmetry_space_group_name_H-M [P-6m2]
_cell_length_a [7.2283]
_cell_length_b [7.2283]
_cell_length_c [3.8862]
_c... |
mp-983603 | ErZnAsO | data_[Er2Zn2As2O2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Er 1.2400 1.7500 1.0300
Zn 1.6500 1.3500 0.8800
As 2.1800 1.1500 0.6600
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P4/nmm]
_cell_length_a [3.9351]
_cell_length_b [3.9... |
mp-1079176 | Sm2Fe2Se2O3 | data_[Sm4Fe4Se4O6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Fe 1.8300 1.4000 0.8525
Se 2.5500 1.1500 1.0133
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/mmm]
_cell_length_a [4.0548]
_cell_length_b [4.0... |
mp-1105530 | KZnB(H2Cl)2 | data_[K2Zn2B2H8Cl4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
K 0.8200 2.2000 1.5200
Zn 1.6500 1.3500 0.8800
B 2.0400 0.8500 0.4100
H 2.2000 0.2500 0.0000
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P2_1/m]
_cell_length_a ... |
mp-1216124 | Y4CrS7 | data_[Y8Cr2S14]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Y 1.2200 1.8000 1.0400
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.4641]
_cell_length_b [3.8111]
_cell_length_c [11.3795]
_cell_... |
mp-1206399 | Rb2LiVCl6 | data_[Rb2Li1V1Cl6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Cl 3.1600 1.0000 0.7800
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [7.1251]
_cell_length_b [7.12... |
mp-20533 | SrIn2Pt | data_[Sr4In8Pt4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sr 0.9500 2.0000 1.3200
In 1.7800 1.5500 0.9400
Pt 2.2800 1.3500 0.8050
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.5481]
_cell_length_b [11.0391]
_cell_length_c [8.0149]
_c... |
mp-8547 | PdPtF6 | data_[Pd3Pt3F18]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Pd 2.2000 1.4000 0.8462
Pt 2.2800 1.3500 0.8050
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [R-3]
_cell_length_a [5.1893]
_cell_length_b [5.1893]
_cell_length_c [14.4534]
_cel... |
mp-1080151 | MoW3(SeS3)2 | data_[Mo1W3Se2S6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Mo 2.1600 1.4500 0.7750
W 2.3600 1.3500 0.7667
Se 2.5500 1.1500 1.0133
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [P3m1]
_cell_length_a [3.2229]
_cell_length_b [3.2229]... |
mp-752473 | SmTh4O10 | data_[Sm2Th8O20]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Sm 1.1700 1.8500 1.2290
Th 1.3000 1.8000 1.0800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [I4/m]
_cell_length_a [8.8701]
_cell_length_b [8.8701]
_cell_length_c [5.6116]
_cel... |
mp-2179 | TiRe | data_[Ti1Re1]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ti 1.5400 1.4000 0.8517
Re 1.9000 1.3500 0.7125
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [3.1187]
_cell_length_b [3.1187]
_cell_length_c [3.1187]
_cell_angle_alpha [90.0000]
_cell_... |
mp-22522 | ZrCuSi | data_[Zr4Cu4Si4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Zr 1.3300 1.5500 0.8600
Cu 1.9000 1.3500 0.8200
Si 1.9000 1.1000 0.5400
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [6.5426]
_cell_length_b [3.9425]
_cell_length_c [7.3161]
_ce... |
mp-778681 | V3SnO8 | data_[V6Sn2O16]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
V 1.6300 1.3500 0.7775
Sn 1.9600 1.4500 0.8300
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Cm]
_cell_length_a [12.5552]
_cell_length_b [3.8580]
_cell_length_c [6.6184]
_cell_a... |
mp-6952 | RbYbF3 | data_[Rb1Yb1F3]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Rb 0.8200 2.3500 1.6600
Yb 1.1000 1.7500 1.0840
F 3.9800 0.5000 0.7050
]
_symmetry_space_group_name_H-M [Pm-3m]
_cell_length_a [4.4487]
_cell_length_b [4.4487]
_cell_length_c [4.4487]
_cel... |
mp-862709 | CeAg3 | data_[Ce2Ag6]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ce 1.1200 1.8500 1.0800
Ag 1.9300 1.6000 1.0867
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [6.5595]
_cell_length_b [6.5595]
_cell_length_c [4.8984]
_cell_angle_alpha [90.0000]
_ce... |
mp-158 | As | data_[As8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
As 2.1800 1.1500 0.6600
]
_symmetry_space_group_name_H-M [Cmce]
_cell_length_a [3.7065]
_cell_length_b [11.4412]
_cell_length_c [4.6864]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_angle... |
mp-600576 | GdFeO3 | data_[Gd4Fe4O12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Gd 1.2000 1.8000 1.0750
Fe 1.8300 1.4000 0.8525
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [Pnma]
_cell_length_a [5.6661]
_cell_length_b [7.7763]
_cell_length_c [5.3949]
_cel... |
mp-36536 | NaCeS2 | data_[Na4Ce4S8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Na 0.9300 1.8000 1.1600
Ce 1.1200 1.8500 1.0800
S 2.5800 1.0000 0.8800
]
_symmetry_space_group_name_H-M [I4_1/amd]
_cell_length_a [5.7161]
_cell_length_b [5.7161]
_cell_length_c [11.9356]
... |
mp-1184709 | Hg | data_[Hg4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Hg 2.0000 1.5000 1.2450
]
_symmetry_space_group_name_H-M [P6_3/mmc]
_cell_length_a [3.5927]
_cell_length_b [3.5927]
_cell_length_c [11.4781]
_cell_angle_alpha [90.0000]
_cell_angle_beta [90.0000]
_cell_a... |
mp-1208041 | TlCr(SO4)2 | data_[Tl1Cr1S2O8]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Tl 1.6200 1.9000 1.3325
Cr 1.6600 1.4000 0.9400
S 2.5800 1.0000 0.8800
O 3.4400 0.6000 1.2600
]
_symmetry_space_group_name_H-M [P321]
_cell_length_a [4.9463]
_cell_length_b [4.9463]... |
mp-30660 | Ga5Pd | data_[Ga20Pd4]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Ga 1.8100 1.3000 0.7600
Pd 2.2000 1.4000 0.8462
]
_symmetry_space_group_name_H-M [I4/mcm]
_cell_length_a [6.5207]
_cell_length_b [6.5207]
_cell_length_c [10.1136]
_cell_angle_alpha [90.0000]
_ce... |
mp-1206637 | LiVSe2 | data_[Li1V1Se2]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Li 0.9800 1.4500 0.9000
V 1.6300 1.3500 0.7775
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [P-3m1]
_cell_length_a [3.5342]
_cell_length_b [3.5342]
_cell_length_c [6.4592]
_cel... |
mp-7211 | CsPrHgSe3 | data_[Cs4Pr4Hg4Se12]
loop_
_atom_type_symbol
_atom_type_electronegativity
_atom_type_radius
_atom_type_ionic_radius
[
Cs 0.7900 2.6000 1.8100
Pr 1.1300 1.8500 1.0600
Hg 2.0000 1.5000 1.2450
Se 2.5500 1.1500 1.0133
]
_symmetry_space_group_name_H-M [Cmcm]
_cell_length_a [4.4339]
_cell_length_b [16... |
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